N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4-methoxy-phenoxy)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloranyl-4-methoxy-phenoxy)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxy-phenoxy)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxyphenoxy)-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-6-(2-chloro-4-methoxyphenoxy)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 1H-benzimidazol-2-ylmethyl-[6-(2-chloro-4-methoxy-phenoxy)-2-[4-(2-pyrimidyl)piperazino]pyrimidin-4-yl]amine Formula: C27H26ClN9O2 MolecularWeight: 544.00744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)NCC3=NC4=CC=CC=C4N3)N5CCN(CC5)C6=NC=CC=N6)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC2=NC(=NC(=C2)NCC3=NC4=CC=CC=C4N3)N5CCN(CC5)C6=NC=CC=N6)Cl

InChI

InChI=1S/C27H26ClN9O2/c1-38-18-7-8-22(19(28)15-18)39-25-16-23(31-17-24-32-20-5-2-3-6-21(20)33-24)34-27(35-25)37-13-11-36(12-14-37)26-29-9-4-10-30-26/h2-10,15-16H,11-14,17H2,1H3,(H,32,33)(H,31,34,35)